N-(2,4-dimethoxyphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-(2,4-dimethoxyphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-(2,4-dimethoxyphenyl)-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(2,4-dimethoxyphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-(2,4-dimethoxyphenyl)-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4)OC

InChI

InChI=1S/C24H26N4O3S/c1-30-18-10-11-20(21(15-18)31-2)27-23(29)17-7-6-14-28(16-17)22-24(26-13-12-25-22)32-19-8-4-3-5-9-19/h3-5,8-13,15,17H,6-7,14,16H2,1-2H3,(H,27,29)